(2S)-2-[(4-bromophenyl)sulfonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-(brosylamino)-4-mesyl-butyrate Formula: C11H13BrNO6S2- MolecularWeight: 399.25802

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NS(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C11H14BrNO6S2/c1-20(16,17)7-6-10(11(14)15)13-21(18,19)9-4-2-8(12)3-5-9/h2-5,10,13H,6-7H2,1H3,(H,14,15)/p-1/t10-/m0/s1